[2-[(1S)-2,2-Dimethylcyclopropyl]Acetyl] 2,2-Dimethylbutanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1s)-2,2-dimethylcyclopropyl]acetyl] 2,2-dimethylbutanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -643.6 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 310.37 Å 3
Surface Area 281.38 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 3.69 ± eV
Point Group Symmetry C1
InChIKey IWYAMVZNEFWHHR-SECBINFHSA-N
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Elements H C O